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CHEBI:217173 - Guanahanolide A

ChEBI IDCHEBI:217173
ChEBI NameGuanahanolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H54O5
Net Charge0
Average Mass578.834
Monoisotopic Mass578.39712
SMILESC=C(C)[C@H]1C[C@H](O)[C@]2(C)CCC[C@@H]3[C@@H]2[C@@H]1C[C@H](C)[C@@]3(C)CC/C(C)=C/[C@@H](O)[C@H]1CCC(=O)c2c(OC)cc(OC)cc21
InChIInChI=1S/C37H54O5/c1-21(2)26-20-33(40)37(6)14-9-10-29-35(37)28(26)17-23(4)36(29,5)15-13-22(3)16-31(39)25-11-12-30(38)34-27(25)18-24(41-7)19-32(34)42-8/h16,18-19,23,25-26,28-29,31,33,35,39-40H,1,9-15,17,20H2,2-8H3/b22-16+/t23-,25-,26+,28+,29+,31+,33-,35-,36+,37-/m0/s1
InChIKeyVRODZKWYVRVQIG-QWDHZLHJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (32806165)
ChEBI Ontology
Outgoing Relation(s)
Guanahanolide A (CHEBI:217173) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(4S)-4-[(E,1R)-5-[(1R,2S,3aR,4S,6S,6aR,9aR,9bS)-6-hydroxy-1,2,6a-trimethyl-4-prop-1-en-2-yl-3,3a,4,5,6,7,8,9,9a,9b-decahydro-2H-phenalen-1-yl]-1-hydroxy-3-methylpent-2-enyl]-6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
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